3-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)propanoic acid
Chemical Structure Depiction of
3-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)propanoic acid
3-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)propanoic acid
Compound characteristics
| Compound ID: | 8020-0692 |
| Compound Name: | 3-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)propanoic acid |
| Molecular Weight: | 254.24 |
| Molecular Formula: | C12 H14 O6 |
| Smiles: | COc1cc(CCC(O)=O)c(c2c1OCO2)OC |
| Stereo: | ACHIRAL |
| logP: | 1.5646 |
| logD: | -1.2363 |
| logSw: | -1.5502 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.454 |
| InChI Key: | YOPOMHJFXLUCLF-UHFFFAOYSA-N |